SCHEMBL22147808

SCHEMBL22147808

C[C@@]1(c2ccccc2)CCN(c2ccccc2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.56
MMP1 P03956 3/20 0.50
MMP2 P08253 2/20 0.50
MMP9 P14780 2/20 0.50
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
METAP2 P50579 3/20 0.43
ADAM17 P78536 2/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
TACR1 P25103 1/20 0.40
KCNH2 Q12809 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6733713 1.00 HSD11B1 (0.56) HSD11B1MMP1MMP2MMP9MEN1
SCHEMBL6732068 0.90 HSD11B1 (0.50) HSD11B1MMP1MMP2MMP9MEN1
SCHEMBL17080099 0.89 MMP1 (0.48) HSD11B1MMP1MMP2MMP9RAB9A
SCHEMBL22365621 0.87 MMP1 (0.48) HSD11B1MMP1MMP2MMP9NPC1
SCHEMBL22147809 0.87 MMP1 (0.48) HSD11B1MMP1MMP2MMP9NPC1
SCHEMBL24596426 0.87 HSD11B1 (0.63) HSD11B1MMP1MMP2MMP9METAP2
SCHEMBL22147547 0.85 HSD11B1 (0.64) HSD11B1MMP1MMP2MMP9HDAC8
SCHEMBL22147742 0.84 MMP1 (0.43) HSD11B1MMP1MMP2MMP9MEN1
SCHEMBL6410939 0.80 HSD11B1 (0.53) HSD11B1MEN1NPC1RAB9AKMT2A
SCHEMBL22365575 0.79 MMP1 (0.47) HSD11B1MMP1MMP2MMP9MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119684193-A Synthesis method of five-membered lactam containing quaternary carbon chiral center through nickel-aluminum catalysis 南开大学 2025-03-25 CN disclosed
US-20220213081-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME CALIFORNIA INSTITUTE OF TECHNOLOGY 2022-07-07 US disclosed
US-20220119377-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME CALIFORNIA INSTITUTE OF TECHNOLOGY 2022-04-21 US disclosed
US-11214568-B2 Gem-disubstituted pyrrolidines, piperazines, and diazepanes, and compositions and methods of making the same CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-01-04 US disclosed
US-20200199114-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME CALIFORNIA INSTITUTE OF TECHNOLOGY 2020-06-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220213081-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME GMNN, GRIA1, GRIA2 HSD11B1 2236/4885MMP1 4534/4885MMP2 4645/4885
US-20200199114-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME GMNN, GRIA1, GRIA2 HSD11B1 2236/4885MMP1 4534/4885MMP2 4645/4885
US-20220119377-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME GMNN, GRIA1, GRIA2 HSD11B1 2236/4885MMP1 4534/4885MMP2 4645/4885
US-11214568-B2 Gem-disubstituted pyrrolidines, piperazines, and diazepanes, and compositions and methods of making the same GMNN, GRIA1, GRIA2 HSD11B1 2236/4885MMP1 4534/4885MMP2 4645/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.